COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.390   0.516  -2.248  1.00  0.00           C  
HETATM    2  C   UNL     1       4.405  -0.842  -0.563  1.00  0.00           C  
HETATM    3  C   UNL     1       2.706   0.150   0.821  1.00  0.00           C  
HETATM    4  C   UNL     1       2.550  -1.017   1.512  1.00  0.00           C  
HETATM    5  C   UNL     1       3.324  -2.132   1.178  1.00  0.00           C  
HETATM    6  C   UNL     1       5.888  -3.688  -0.884  1.00  0.00           C  
HETATM    7  C   UNL     1       4.259  -2.042   0.132  1.00  0.00           C  
HETATM    8  C   UNL     1       1.868   1.349   1.186  1.00  0.00           C  
HETATM    9  C   UNL     1       2.782   2.547   1.450  1.00  0.00           C  
HETATM   10  C   UNL     1       1.955   3.711   1.933  1.00  0.00           C  
HETATM   11  O   UNL     1       2.549   4.878   2.230  1.00  0.00           O  
HETATM   12  C   UNL     1       1.435   2.138  -1.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.786   2.258  -2.035  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.723   2.581  -3.171  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.289   1.785  -0.837  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.774   1.593  -0.667  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.458   0.079  -2.585  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.762  -2.050  -0.289  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.411  -0.415   1.424  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.431   1.500   0.208  1.00  0.00           C  
HETATM   21  O   UNL     1       5.301  -0.744  -1.580  1.00  0.00           O  
HETATM   22  C   UNL     1       3.628   0.246  -0.213  1.00  0.00           C  
HETATM   23  N   UNL     1       3.420  -3.395   1.642  1.00  0.00           N  
HETATM   24  N   UNL     1       4.312  -4.029   0.965  1.00  0.00           N  
HETATM   25  N   UNL     1       4.843  -3.283   0.059  1.00  0.00           N  
HETATM   26  O   UNL     1       0.759   3.594   2.054  1.00  0.00           O  
HETATM   27  C   UNL     1       0.932   1.671   0.050  1.00  0.00           C  
HETATM   28  C   UNL     1       0.576   2.434  -2.191  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.155   0.268  -1.165  1.00  0.00           N  
HETATM   30  S   UNL     1      -3.242  -1.014  -0.121  1.00  0.00           S  
HETATM   31  O   UNL     1      -2.939  -2.174  -0.884  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.516  -0.637   1.041  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.926  -1.171   0.374  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.084  -2.169   0.096  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.571  -1.408   1.143  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.734  -0.529   1.805  1.00  0.00           C  
HETATM   37  H   UNL     1       4.422   0.764  -2.685  1.00  0.00           H  
HETATM   38  H   UNL     1       5.673   1.288  -1.532  1.00  0.00           H  
HETATM   39  H   UNL     1       6.140   0.458  -3.036  1.00  0.00           H  
HETATM   40  H   UNL     1       1.830  -1.079   2.314  1.00  0.00           H  
HETATM   41  H   UNL     1       6.867  -3.488  -0.449  1.00  0.00           H  
HETATM   42  H   UNL     1       5.794  -4.753  -1.095  1.00  0.00           H  
HETATM   43  H   UNL     1       5.780  -3.123  -1.810  1.00  0.00           H  
HETATM   44  H   UNL     1       1.289   1.128   2.083  1.00  0.00           H  
HETATM   45  H   UNL     1       3.517   2.283   2.210  1.00  0.00           H  
HETATM   46  H   UNL     1       3.294   2.823   0.529  1.00  0.00           H  
HETATM   47  H   UNL     1       1.977   5.596   2.536  1.00  0.00           H  
HETATM   48  H   UNL     1       2.499   2.276  -1.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.952   3.646  -3.161  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.250   2.319  -4.117  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.644   2.010  -3.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.032   1.672   0.389  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.307   2.359  -1.230  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.534  -0.104  -3.133  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.126  -0.775  -2.703  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.941   0.974  -2.976  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.383  -2.641  -1.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.757   0.272   1.942  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.824   1.139   1.147  1.00  0.00           H  
HETATM   60  H   UNL     1       3.738   1.177  -0.749  1.00  0.00           H  
HETATM   61  H   UNL     1       0.969   2.804  -3.127  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.738  -2.856  -0.421  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.604  -1.500   1.443  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.115   0.066   2.623  1.00  0.00           H  
CONECT    1   21   37   38   39                                       
CONECT    2   21   22   22    7                                       
CONECT    3   22    4    4    8                                       
CONECT    4    5    3    3   40                                       
CONECT    5    7    7   23    4                                       
CONECT    6   25   41   42   43                                       
CONECT    7    2   25    5    5                                       
CONECT    8    9    3   27   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   26   26   11    9                                       
CONECT   11   10   47                                                 
CONECT   12   27   28   28   48                                       
CONECT   13   15   15   28   14                                       
CONECT   14   13   49   50   51                                       
CONECT   15   20   16   13   13                                       
CONECT   16   15   29   52   53                                       
CONECT   17   29   54   55   56                                       
CONECT   18   34   33   33   57                                       
CONECT   19   36   36   33   58                                       
CONECT   20   27   27   15   59                                       
CONECT   21    1    2                                                 
CONECT   22    2    2    3   60                                       
CONECT   23   24   24    5                                            
CONECT   24   25   23   23                                            
CONECT   25    6    7   24                                            
CONECT   26   10   10                                                 
CONECT   27    8   20   20   12                                       
CONECT   28   12   12   13   61                                       
CONECT   29   17   16   30                                            
CONECT   30   29   33   31   31                                       
CONECT   30   32   32                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   18   18   19   30                                       
CONECT   34   35   35   18   62                                       
CONECT   35   34   34   36   63                                       
CONECT   36   35   19   19   64                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   28                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
